TPCN04217

Name Bdfejasuponin IVb;Buddlejasaponin IVb;Buddlejasaponon Ivb;Stellarinpin A
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 152580-79-5
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Clinopodium chinense Whole plants 0.008421% J Nat Prod 58(2): 184-188. 10.1021/np50116a004
Apiaceae Pleurospermum kamtschaticum Aerial parts 0.007000% Chem Pharm Bull (Tokyo) 60(8): 1011-1018. 10.1248/cpb.c12-00274
Lamiaceae Clinopodium polycephalum Aerial parts 0.000779% J Asian Nat Prod Res . 2017 Jul;19(7):697-703 10.1080/10286020.2016.1254199
Caryophyllaceae Stellaria media Aerial parts 0.000400% Nat Prod Res . 2009;23(14):1274-8 10.1080/14786410701642532
Properties
HBA 18 HBD 12
HeavyAtoms 66 AlogP -0.50
TPSA 298.14 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8